(6Z,9Z,12Z)-18-(8-oxidanyl-8-oxidanylidene-3-sulfanyl-octyl)sulfanyloctadeca-6,9,12-trienoic acid

Systemtic Name: (6Z,9Z,12Z)-18-(8-oxidanyl-8-oxidanylidene-3-sulfanyl-octyl)sulfanyloctadeca-6,9,12-trienoic acid Openeye Name: (6Z,9Z,12Z)-18-(8-hydroxy-8-oxo-3-sulfanyl-octyl)sulfanyloctadeca-6,9,12-trienoic acid CAS Name: (6Z,9Z,12Z)-18-[(8-hydroxy-3-mercapto-8-oxooctyl)thio]octadeca-6,9,12-trienoic acid IUPAC Name: (6Z,9Z,12Z)-18-(8-hydroxy-8-oxo-3-sulfanyloctyl)sulfanyloctadeca-6,9,12-trienoic acid Traditional Name: (6Z,9Z,12Z)-18-[(8-hydroxy-8-keto-3-mercapto-octyl)thio]octadeca-6,9,12-trienoic acid Formula: C26H44O4S2 MolecularWeight: 484.75516

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC=CCC=CCC=CCCCCC(=O)O)CCSCCC(CCCCC(=O)O)S

Isomeric SMILES

C(CC/C=C\C/C=C\C/C=C\CCCCC(=O)O)CCSCCC(CCCCC(=O)O)S

InChI

InChI=1S/C26H44O4S2/c27-25(28)19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-22-32-23-21-24(31)18-15-16-20-26(29)30/h1-2,5-8,24,31H,3-4,9-23H2,(H,27,28)(H,29,30)/b2-1-,7-5-,8-6-